5-methyl-N-(oxan-3-ylmethyl)-1H-pyrazole-4-sulfonamide

C10H17N3O3S — CID 54905709

IUPAC5-methyl-N-(oxan-3-ylmethyl)-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)NCC1CCCOC1
InChIInChI=1S/C10H17N3O3S/c1-8-10(6-11-13-8)17(14,15)12-5-9-3-2-4-16-7-9/h6,9,12H,2-5,7H2,1H3,(H,11,13)
InChIKeyWJUZGKXZFGKOOO-UHFFFAOYSA-N
MW259.33 g/mol
LogP0.42
Rot. Bonds4

About 5-methyl-N-(oxan-3-ylmethyl)-1H-pyrazole-4-sulfonamide

5-methyl-N-(oxan-3-ylmethyl)-1H-pyrazole-4-sulfonamide (PubChem CID 54905709) has the molecular formula C10H17N3O3S and a molecular weight of 259.33 g/mol. Its IUPAC name is 5-methyl-N-(oxan-3-ylmethyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-(oxan-3-ylmethyl)-1H-pyrazole-4-sulfonamide
PubChem CID54905709
Molecular FormulaC10H17N3O3S
Molecular Weight259.33 g/mol
Exact Mass259.10
IUPAC Name5-methyl-N-(oxan-3-ylmethyl)-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)NCC1CCCOC1
InChIInChI=1S/C10H17N3O3S/c1-8-10(6-11-13-8)17(14,15)12-5-9-3-2-4-16-7-9/h6,9,12H,2-5,7H2,1H3,(H,11,13)
InChIKeyWJUZGKXZFGKOOO-UHFFFAOYSA-N
XLogP0.42
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(oxan-3-ylmethyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-methyl-N-(oxan-3-ylmethyl)-1H-pyrazole-4-sulfonamide (CID 54905709) is 5-methyl-N-(oxan-3-ylmethyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-methyl-N-(oxan-3-ylmethyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-methyl-N-(oxan-3-ylmethyl)-1H-pyrazole-4-sulfonamide is Cc1[nH]ncc1S(=O)(=O)NCC1CCCOC1.
What is the InChIKey of 5-methyl-N-(oxan-3-ylmethyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is WJUZGKXZFGKOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S/c1-8-10(6-11-13-8)17(14,15)12-5-9-3-2-4-16-7-9/h6,9,12H,2-5,7H2,1H3,(H,11,13).
What are the key properties of 5-methyl-N-(oxan-3-ylmethyl)-1H-pyrazole-4-sulfonamide?
5-methyl-N-(oxan-3-ylmethyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 259.33 g/mol, XLogP of 0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(oxan-3-ylmethyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 54905709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).